2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine

C11H14N4O — CID 110930545

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
SMILESNC(N)=NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C11H14N4O/c12-11(13)14-7-10(16)15-6-5-8-3-1-2-4-9(8)15/h1-4H,5-7H2,(H4,12,13,14)
InChIKeySSIBEJMDUVRQDZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.15
Rot. Bonds2

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine (PubChem CID 110930545) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
PubChem CID110930545
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
SMILESNC(N)=NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C11H14N4O/c12-11(13)14-7-10(16)15-6-5-8-3-1-2-4-9(8)15/h1-4H,5-7H2,(H4,12,13,14)
InChIKeySSIBEJMDUVRQDZ-UHFFFAOYSA-N
XLogP-0.15
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
CID 111097813
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-methylphenyl)guanidine
CID 111097779
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111097758
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121329
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111097798
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111097787
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 110966467

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine (CID 110930545) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine is NC(N)=NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine?
The InChIKey is SSIBEJMDUVRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-11(13)14-7-10(16)15-6-5-8-3-1-2-4-9(8)15/h1-4H,5-7H2,(H4,12,13,14).
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine has a molecular weight of 218.26 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine is sourced from PubChem (CID 110930545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).